RefChem:268424
TL;DR: RefChem:268424 (CAS 1676-45-5) is a chemical compound with molecular formula C17H29ClN2O and molecular weight 312.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(azepan-1-ium-1-yl)ethyl]-3,5,7-trimethyl-3H-azepin-2-one chloride
Also Known As: 1-[2-(azepan-1-ium-1-yl)ethyl]-3,5,7-trimethyl-3H-azepin-2-one chloride, 2H-Azepin-2-one, 1,3-dihydro-1-(2-(hexahydro-1H-azepin-1-yl)ethyl)-3,5,7-trimethyl-, hydrochloride, 2H-AZEPIN-2-ONE, 1,3-DIHYDRO-1-(2-(HEXAHYDRO-1H-AZEPIN-1-YL)ETHYL)-3,5,7-TRIMETH, 2H-Azepin-2-one, 1-[2-(hexahydro-1H-azepin-1-yl)ethyl]-1,3-dihydro-3,5,7-trimethyl-, monohydrochloride, RefChem:268424
| Molecular Formula | C17H29ClN2O |
|---|---|
| Molecular Weight | 312.20 g/mol |
| LogP | -1.22 |
| Topological Polar Surface Area | 24.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.19684 |
| Heavy Atoms | 21 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 1676-45-5 |
|---|---|
| SMILES | CC1C=C(C=C(N(C1=O)CC[NH+]2CCCCCC2)C)C.[Cl-] |
| InChIKey | ZHXLAGJLJDTKKK-UHFFFAOYSA-N |
Product Overview
RefChem:268424 (CAS 1676-45-5), with molecular formula C17H29ClN2O and molecular weight 312.20 g/mol. IUPAC: 1-[2-(azepan-1-ium-1-yl)ethyl]-3,5,7-trimethyl-3H-azepin-2-one chloride.
Chemical Property Profile of RefChem:268424
Property Insights of RefChem:268424
The XLogP value of -1.22 indicates that RefChem:268424 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 24.8 Ų, RefChem:268424 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:268424 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:268424?
The CAS number of RefChem:268424 is 1676-45-5.
What is the molecular formula of RefChem:268424?
The molecular formula of RefChem:268424 is C17H29ClN2O.
What is the molecular weight of RefChem:268424?
The molecular weight of RefChem:268424 is 312.20 g/mol.
Where can I buy RefChem:268424?
You can request a quote for RefChem:268424 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:268424?
Yes, KEHONG BIO provides custom synthesis services for RefChem:268424 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.